| CAS Number | 222739-29-9 |
| Catalog Number | AG00I4DV(AGN-PC-0WBO60) |
| Chemical Name | DL-Serine benzyl ester p-toluenesulfonate |
| IUPAC Name | benzyl 2-amino-3-hydroxypropanoate;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C10H13NO3.C7H8O3S/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,9,12H,6-7,11H2;2-5H,1H3,(H,8,9,10) |
| InChI Key | AKSVYZARYSSXSL-UHFFFAOYSA-N |
| MDL Number | MFCD00191018 |
| Molecular Formula | C17H21NO6S |
| Molecular Weight | 367.4167 |
| SMILES | O[C@@H]1[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccccc2)O[C@@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1-c1c(C(=O)OC2)cc(c(c1O)O)O)O)O |
| Synonyms | 222739-29-9,
DL-SERINE BENZYL ESTER P-TOLUENESULFONATE,
Benzyl 2-amino-3-hydroxypropanoate 4-methylbenzenesulfonate,
C10H13NO3.C7H8O3S,
6645AH,
MFCD00191018,
AKOS027393685,
Dl-serinebenzyl ester p-toluenesulfonate,
DL-Serine benzyl ester 4-toluenesulfonate salt,
K-6293,
1738-79-0,
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| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.416g/mol |
| Monoisotopic Mass | 367.109g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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